data_nef_c19941_2mof save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2MOF stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 369 SER start . . 2 A 370 ALA middle . . 3 A 371 ASP middle . . 4 A 372 ASP middle . . 5 A 373 ASP middle . . 6 A 374 ASN middle . . 7 A 375 PHE middle . . 8 A 376 LEU middle . . 9 A 377 VAL middle . . 10 A 378 PRO middle . false 11 A 379 ILE middle . . 12 A 380 ALA middle . . 13 A 381 VAL middle . . 14 A 382 GLY middle . false 15 A 383 ALA middle . . 16 A 384 ALA middle . . 17 A 385 LEU middle . . 18 A 386 ALA middle . . 19 A 387 GLY middle . false 20 A 388 VAL middle . . 21 A 389 LEU middle . . 22 A 390 ILE middle . . 23 A 391 LEU middle . . 24 A 392 VAL middle . . 25 A 393 LEU middle . . 26 A 394 LEU middle . . 27 A 395 ALA middle . . 28 A 396 TYR middle . . 29 A 397 PHE middle . . 30 A 398 ILE middle . . 31 A 399 GLY middle . false 32 A 400 LEU middle . . 33 A 401 LYS middle . . 34 A 402 HIS middle . . 35 A 403 HIS middle . . 36 A 404 HIS middle . . 37 A 405 ALA middle . . 38 A 406 GLY middle . false 39 A 407 TYR middle . . 40 A 408 GLU middle . . 41 A 409 GLN middle . . 42 A 410 PHE end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 369 SER C C 13 179.0270 0.30 A 369 SER CA C 13 54.9140 0.30 A 369 SER CB C 13 63.5570 0.30 A 370 ALA H H 1 8.3270 0.02 A 370 ALA HA H 1 4.3810 0.02 A 370 ALA HB% H 1 1.4390 0.02 A 370 ALA C C 13 177.6110 0.30 A 370 ALA CA C 13 57.6810 0.30 A 370 ALA CB C 13 18.5190 0.30 A 370 ALA N N 15 118.6710 0.30 A 371 ASP H H 1 8.3120 0.02 A 371 ASP HA H 1 4.5910 0.02 A 371 ASP HBx H 1 2.6920 0.02 A 371 ASP C C 13 176.2700 0.30 A 371 ASP CA C 13 54.5590 0.30 A 371 ASP CB C 13 40.7940 0.30 A 371 ASP N N 15 117.9370 0.30 A 372 ASP H H 1 8.1620 0.02 A 372 ASP HA H 1 4.5920 0.02 A 372 ASP HBx H 1 2.6440 0.02 A 372 ASP C C 13 174.0150 0.30 A 372 ASP CA C 13 54.3940 0.30 A 372 ASP CB C 13 45.1430 0.30 A 372 ASP N N 15 120.2650 0.30 A 373 ASP H H 1 8.0240 0.02 A 373 ASP HA H 1 4.5580 0.02 A 373 ASP HB2 H 1 2.6310 0.02 A 373 ASP HB3 H 1 2.6310 0.02 A 373 ASP C C 13 176.1970 0.30 A 373 ASP CA C 13 54.5440 0.30 A 373 ASP CB C 13 40.7910 0.30 A 373 ASP N N 15 119.3940 0.30 A 374 ASN H H 1 8.2720 0.02 A 374 ASN HA H 1 4.6950 0.02 A 374 ASN HBx H 1 2.8160 0.02 A 374 ASN C C 13 175.4280 0.30 A 374 ASN CA C 13 53.2590 0.30 A 374 ASN CB C 13 38.6150 0.30 A 374 ASN N N 15 118.5310 0.30 A 375 PHE H H 1 8.5050 0.02 A 375 PHE HA H 1 4.5910 0.02 A 375 PHE HBx H 1 3.1930 0.02 A 375 PHE HDy H 1 7.1202 0.02 A 375 PHE HEy H 1 6.8506 0.02 A 375 PHE HZ H 1 7.0433 0.02 A 375 PHE C C 13 175.3100 0.30 A 375 PHE CA C 13 58.0590 0.30 A 375 PHE CB C 13 38.9980 0.30 A 375 PHE CD2 C 13 133.1952 0.30 A 375 PHE CE2 C 13 134.7044 0.30 A 375 PHE N N 15 119.7640 0.30 A 376 LEU H H 1 8.0660 0.02 A 376 LEU HA H 1 4.0740 0.02 A 376 LEU HBx H 1 1.5750 0.02 A 376 LEU HG H 1 1.9955 0.02 A 376 LEU CA C 13 57.1280 0.30 A 376 LEU N N 15 120.2730 0.30 A 378 PRO HA H 1 3.7540 0.02 A 378 PRO HBx H 1 2.0020 0.02 A 378 PRO HDx H 1 4.0320 0.02 A 378 PRO HGy H 1 1.8607 0.02 A 378 PRO HGx H 1 1.2680 0.02 A 378 PRO CA C 13 64.7520 0.30 A 378 PRO CB C 13 37.2190 0.30 A 378 PRO CD C 13 46.8388 0.30 A 378 PRO CG C 13 29.7490 0.30 A 379 ILE H H 1 8.4780 0.02 A 379 ILE HA H 1 3.9450 0.02 A 379 ILE HB H 1 1.8190 0.02 A 379 ILE HD11 H 1 0.7730 0.02 A 379 ILE HD12 H 1 0.7730 0.02 A 379 ILE HD13 H 1 0.7730 0.02 A 379 ILE HG1x H 1 2.4438 0.02 A 379 ILE C C 13 175.3480 0.30 A 379 ILE CA C 13 55.2860 0.30 A 379 ILE CB C 13 38.7430 0.30 A 379 ILE CD1 C 13 14.7819 0.30 A 379 ILE CG2 C 13 19.8686 0.30 A 379 ILE N N 15 122.0030 0.30 A 380 ALA H H 1 8.4730 0.02 A 380 ALA HA H 1 3.9090 0.02 A 380 ALA HB% H 1 1.2495 0.02 A 380 ALA CA C 13 57.8800 0.30 A 380 ALA CB C 13 17.3598 0.30 A 380 ALA N N 15 119.8730 0.30 A 381 VAL HA H 1 3.5610 0.02 A 381 VAL HB H 1 2.0020 0.02 A 381 VAL HGx% H 1 1.0940 0.02 A 381 VAL HGy% H 1 0.9690 0.02 A 381 VAL C C 13 177.6920 0.30 A 381 VAL CA C 13 66.5210 0.30 A 381 VAL CB C 13 28.4960 0.30 A 381 VAL CG1 C 13 23.4013 0.30 A 381 VAL CG2 C 13 21.8093 0.30 A 382 GLY H H 1 8.5010 0.02 A 382 GLY HAx H 1 3.6300 0.02 A 382 GLY C C 13 174.2600 0.30 A 382 GLY CA C 13 47.5090 0.30 A 382 GLY N N 15 106.1630 0.30 A 383 ALA H H 1 8.7840 0.02 A 383 ALA HA H 1 3.9460 0.02 A 383 ALA HB% H 1 1.3110 0.02 A 383 ALA CA C 13 54.9310 0.30 A 383 ALA N N 15 122.4040 0.30 A 384 ALA H H 1 8.1710 0.02 A 384 ALA HA H 1 3.9420 0.02 A 384 ALA HB% H 1 1.4460 0.02 A 384 ALA C C 13 178.9120 0.30 A 384 ALA CA C 13 55.0770 0.30 A 384 ALA CB C 13 18.0820 0.30 A 384 ALA N N 15 119.0370 0.30 A 385 LEU H H 1 8.3430 0.02 A 385 LEU HA H 1 3.9930 0.02 A 385 LEU HBy H 1 1.8310 0.02 A 385 LEU HBx H 1 1.5040 0.02 A 385 LEU HDx% H 1 0.8800 0.02 A 385 LEU HDy% H 1 0.8600 0.02 A 385 LEU HG H 1 1.0823 0.02 A 385 LEU C C 13 178.2590 0.30 A 385 LEU CA C 13 57.6910 0.30 A 385 LEU CB C 13 41.2280 0.30 A 385 LEU CD1 C 13 23.9533 0.30 A 385 LEU CD2 C 13 23.3320 0.30 A 385 LEU CG C 13 24.7896 0.30 A 385 LEU N N 15 116.4920 0.30 A 386 ALA H H 1 8.4610 0.02 A 386 ALA HA H 1 3.8810 0.02 A 386 ALA HB% H 1 1.3910 0.02 A 386 ALA C C 13 179.0270 0.30 A 386 ALA CA C 13 55.1220 0.30 A 386 ALA CB C 13 18.6670 0.30 A 386 ALA N N 15 119.9690 0.30 A 387 GLY H H 1 8.5710 0.30 A 387 GLY HAx H 1 3.5660 0.02 A 387 GLY C C 13 174.5000 0.30 A 387 GLY CA C 13 47.1650 0.30 A 387 GLY N N 15 104.0180 0.30 A 388 VAL H H 1 8.3250 0.02 A 388 VAL HA H 1 3.5540 0.02 A 388 VAL HB H 1 2.1230 0.02 A 388 VAL HGx% H 1 1.0650 0.02 A 388 VAL HGy% H 1 0.9507 0.02 A 388 VAL C C 13 177.1250 0.30 A 388 VAL CA C 13 66.9450 0.30 A 388 VAL CB C 13 30.7430 0.30 A 388 VAL CG1 C 13 21.7657 0.30 A 388 VAL N N 15 120.2950 0.30 A 389 LEU H H 1 8.2470 0.02 A 389 LEU HA H 1 3.9420 0.02 A 389 LEU HBy H 1 1.6880 0.02 A 389 LEU HBx H 1 1.5000 0.02 A 389 LEU HDx% H 1 1.0680 0.02 A 389 LEU HDy% H 1 0.8430 0.02 A 389 LEU HG H 1 1.3640 0.02 A 389 LEU C C 13 178.4240 0.30 A 389 LEU CA C 13 58.2380 0.30 A 389 LEU CB C 13 40.9310 0.30 A 389 LEU CD1 C 13 23.1463 0.30 A 389 LEU CD2 C 13 24.4093 0.30 A 389 LEU CG C 13 25.9383 0.30 A 389 LEU N N 15 118.8180 0.30 A 390 ILE H H 1 8.3910 0.02 A 390 ILE HA H 1 3.6270 0.02 A 390 ILE HB H 1 2.2200 0.02 A 390 ILE HD11 H 1 0.1900 0.02 A 390 ILE HD12 H 1 0.1900 0.02 A 390 ILE HD13 H 1 0.1900 0.02 A 390 ILE HG1y H 1 2.0030 0.02 A 390 ILE HG1x H 1 1.0050 0.02 A 390 ILE C C 13 177.2880 0.30 A 390 ILE CA C 13 65.2910 0.30 A 390 ILE CB C 13 36.8630 0.30 A 390 ILE CD1 C 13 13.9653 0.30 A 390 ILE CG1 C 13 30.2310 0.30 A 390 ILE CG2 C 13 14.2333 0.30 A 390 ILE N N 15 117.7230 0.30 A 391 LEU H H 1 8.1250 0.02 A 391 LEU HA H 1 4.0080 0.02 A 391 LEU HBy H 1 2.0810 0.02 A 391 LEU HBx H 1 1.5170 0.02 A 391 LEU HDx% H 1 0.8795 0.02 A 391 LEU HDy% H 1 1.9430 0.02 A 391 LEU HG H 1 1.9405 0.02 A 391 LEU C C 13 178.6610 0.30 A 391 LEU CA C 13 58.4300 0.30 A 391 LEU CB C 13 41.6600 0.30 A 391 LEU CD1 C 13 25.3603 0.30 A 391 LEU CD2 C 13 23.5223 0.30 A 391 LEU CG C 13 26.8908 0.30 A 391 LEU N N 15 119.3050 0.30 A 392 VAL H H 1 8.5190 0.02 A 392 VAL HA H 1 3.5910 0.02 A 392 VAL HB H 1 2.3110 0.02 A 392 VAL HGx% H 1 1.0810 0.02 A 392 VAL HGy% H 1 0.9450 0.02 A 392 VAL C C 13 177.5700 0.30 A 392 VAL CA C 13 66.8310 0.30 A 392 VAL CB C 13 30.7420 0.30 A 392 VAL CG1 C 13 23.2063 0.30 A 392 VAL CG2 C 13 21.7863 0.30 A 392 VAL N N 15 118.0530 0.30 A 393 LEU H H 1 8.4100 0.02 A 393 LEU HA H 1 4.1360 0.02 A 393 LEU HBy H 1 2.0690 0.02 A 393 LEU HBx H 1 1.6260 0.02 A 393 LEU HDx% H 1 1.0003 0.02 A 393 LEU HDy% H 1 0.9677 0.02 A 393 LEU HG H 1 1.9870 0.02 A 393 LEU C C 13 179.2960 0.30 A 393 LEU CA C 13 58.2380 0.30 A 393 LEU CB C 13 41.6690 0.30 A 393 LEU CD1 C 13 25.1813 0.30 A 393 LEU CD2 C 13 24.5730 0.30 A 393 LEU CG C 13 26.8793 0.30 A 393 LEU N N 15 119.5420 0.30 A 394 LEU H H 1 8.8300 0.02 A 394 LEU HA H 1 4.1740 0.02 A 394 LEU HBy H 1 2.0620 0.02 A 394 LEU HBx H 1 1.6140 0.02 A 394 LEU HDx% H 1 0.9525 0.02 A 394 LEU HDy% H 1 0.9489 0.02 A 394 LEU HG H 1 2.0055 0.02 A 394 LEU C C 13 178.8230 0.30 A 394 LEU CA C 13 58.2380 0.30 A 394 LEU CB C 13 41.6640 0.30 A 394 LEU CD1 C 13 25.6484 0.30 A 394 LEU CD2 C 13 24.1532 0.30 A 394 LEU CG C 13 27.1016 0.30 A 394 LEU N N 15 118.9530 0.30 A 395 ALA H H 1 8.7700 0.02 A 395 ALA HA H 1 3.9670 0.02 A 395 ALA HB% H 1 1.5630 0.02 A 395 ALA C C 13 179.0650 0.30 A 395 ALA CA C 13 55.4710 0.30 A 395 ALA CB C 13 18.0780 0.30 A 395 ALA N N 15 121.3280 0.30 A 396 TYR H H 1 8.6110 0.02 A 396 TYR HA H 1 4.1310 0.02 A 396 TYR HBy H 1 3.1890 0.02 A 396 TYR HBx H 1 3.0710 0.02 A 396 TYR HDx H 1 6.5523 0.02 A 396 TYR HEx H 1 6.6050 0.02 A 396 TYR C C 13 177.0410 0.30 A 396 TYR CA C 13 61.5580 0.30 A 396 TYR CB C 13 38.4050 0.30 A 396 TYR CD1 C 13 132.5969 0.30 A 396 TYR CE1 C 13 117.9112 0.30 A 396 TYR N N 15 117.3350 0.30 A 397 PHE H H 1 8.7020 0.02 A 397 PHE HA H 1 4.1610 0.02 A 397 PHE HBx H 1 3.1910 0.02 A 397 PHE HDy H 1 6.5217 0.02 A 397 PHE HEy H 1 7.4590 0.02 A 397 PHE HZ H 1 7.5270 0.02 A 397 PHE C C 13 177.4870 0.30 A 397 PHE CA C 13 61.7490 0.30 A 397 PHE CB C 13 39.4210 0.30 A 397 PHE CD2 C 13 132.6376 0.30 A 397 PHE CE2 C 13 131.9606 0.30 A 397 PHE CZ C 13 128.5697 0.30 A 397 PHE N N 15 116.1580 0.30 A 398 ILE H H 1 8.6880 0.02 A 398 ILE HA H 1 4.0330 0.02 A 398 ILE HB H 1 2.1070 0.02 A 398 ILE HD11 H 1 1.0803 0.02 A 398 ILE HD12 H 1 1.0803 0.02 A 398 ILE HD13 H 1 1.0803 0.02 A 398 ILE HG1x H 1 1.9002 0.02 A 398 ILE HG21 H 1 0.9035 0.02 A 398 ILE HG22 H 1 0.9035 0.02 A 398 ILE HG23 H 1 0.9035 0.02 A 398 ILE C C 13 177.4910 0.02 A 398 ILE CA C 13 63.0460 0.30 A 398 ILE CB C 13 37.3160 0.30 A 398 ILE CD1 C 13 12.7761 0.30 A 398 ILE CG1 C 13 29.8402 0.30 A 398 ILE CG2 C 13 17.3638 0.30 A 398 ILE N N 15 116.5660 0.30 A 399 GLY H H 1 8.2320 0.02 A 399 GLY HAx H 1 3.9180 0.02 A 399 GLY CA C 13 46.5870 0.30 A 399 GLY N N 15 107.7890 0.30 A 400 LEU H H 1 8.0820 0.02 A 400 LEU HA H 1 4.2680 0.02 A 400 LEU HBy H 1 1.6190 0.02 A 400 LEU HBx H 1 1.5720 0.02 A 400 LEU HDx% H 1 0.8790 0.02 A 400 LEU HDy% H 1 0.9707 0.02 A 400 LEU HG H 1 1.4105 0.02 A 400 LEU CA C 13 55.9970 0.30 A 400 LEU CB C 13 35.4202 0.30 A 400 LEU CD1 C 13 24.0563 0.30 A 400 LEU CD2 C 13 21.6036 0.30 A 400 LEU CG C 13 24.3198 0.30 A 400 LEU N N 15 119.8630 0.30 A 401 LYS H H 1 7.9310 0.02 A 401 LYS HA H 1 4.1360 0.02 A 401 LYS HBx H 1 1.6920 0.02 A 401 LYS HDx H 1 1.6255 0.02 A 401 LYS HEx H 1 3.2960 0.02 A 401 LYS HGx H 1 1.2833 0.02 A 401 LYS C C 13 176.8770 0.30 A 401 LYS CA C 13 56.5790 0.30 A 401 LYS CB C 13 32.0490 0.30 A 401 LYS CD C 13 28.8022 0.30 A 401 LYS CE C 13 39.7789 0.30 A 401 LYS CG C 13 24.5370 0.30 A 401 LYS N N 15 118.0410 0.30 A 402 HIS H H 1 8.0670 0.02 A 402 HIS HA H 1 4.5230 0.02 A 402 HIS HBx H 1 2.5640 0.02 A 402 HIS HD1 H 1 1.4170 0.02 A 402 HIS HE1 H 1 6.9373 0.02 A 402 HIS HE2 H 1 1.5870 0.02 A 402 HIS C C 13 175.1860 0.30 A 402 HIS CA C 13 56.7560 0.30 A 402 HIS CB C 13 30.1870 0.30 A 402 HIS CD2 C 13 122.058 0.30 A 402 HIS CE1 C 13 139.917 0.30 A 402 HIS N N 15 117.5400 0.30 A 403 HIS H H 1 8.2080 0.02 A 403 HIS CA C 13 54.5260 0.30 A 403 HIS N N 15 120.0710 0.30 A 404 HIS HA H 1 4.5630 0.02 A 404 HIS HBx H 1 3.1240 0.02 A 404 HIS HD1 H 1 0.6210 0.02 A 404 HIS HE1 H 1 6.9777 0.02 A 404 HIS C C 13 174.9460 0.30 A 404 HIS CA C 13 56.2030 0.30 A 404 HIS CB C 13 30.3050 0.30 A 404 HIS CD2 C 13 125.254 0.30 A 404 HIS CE1 C 13 140.7063 0.30 A 405 ALA H H 1 8.2420 0.02 A 405 ALA HA H 1 4.3210 0.02 A 405 ALA HB% H 1 1.3760 0.02 A 405 ALA C C 13 177.7290 0.30 A 405 ALA CA C 13 52.5170 0.30 A 405 ALA CB C 13 18.9390 0.30 A 405 ALA N N 15 123.8570 0.30 A 406 GLY H H 1 8.3730 0.02 A 406 GLY HAy H 1 3.9090 0.02 A 406 GLY HAx H 1 3.7530 0.02 A 406 GLY C C 13 176.3170 0.30 A 406 GLY CA C 13 45.1250 0.30 A 406 GLY N N 15 107.1530 0.30 A 407 TYR H H 1 8.0050 0.02 A 407 TYR HA H 1 4.5870 0.02 A 407 TYR HBy H 1 3.1480 0.02 A 407 TYR HBx H 1 2.9420 0.02 A 407 TYR HDx H 1 7.2280 0.02 A 407 TYR C C 13 175.7140 0.30 A 407 TYR CA C 13 57.8750 0.30 A 407 TYR CB C 13 38.8310 0.30 A 407 TYR CD1 C 13 136.1826 0.30 A 407 TYR N N 15 119.2950 0.30 A 408 GLU H H 1 8.4290 0.02 A 408 GLU HA H 1 4.2050 0.02 A 408 GLU HBx H 1 1.9410 0.02 A 408 GLU HGx H 1 2.2680 0.02 A 408 GLU C C 13 175.9130 0.30 A 408 GLU CA C 13 56.5820 0.30 A 408 GLU CB C 13 29.8680 0.30 A 408 GLU CG C 13 33.9062 0.30 A 408 GLU N N 15 121.1930 0.30 A 409 GLN H H 1 8.1190 0.02 A 409 GLN HA H 1 4.2660 0.02 A 409 GLN HBy H 1 2.0150 0.02 A 409 GLN HBx H 1 1.8780 0.02 A 409 GLN HGx H 1 1.4830 0.02 A 409 GLN C C 13 174.5020 0.30 A 409 GLN CA C 13 55.4690 0.30 A 409 GLN CB C 13 29.4180 0.30 A 409 GLN CG C 13 36.3517 0.30 A 409 GLN N N 15 119.9750 0.30 A 410 PHE H H 1 7.7350 0.02 A 410 PHE HA H 1 4.4800 0.02 A 410 PHE HDy H 1 7.2890 0.02 A 410 PHE CA C 13 58.7960 0.30 A 410 PHE CB C 13 40.5198 0.30 A 410 PHE CD2 C 13 132.1344 0.30 A 410 PHE N N 15 125.6700 0.30 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 370 ALA HA A 371 ASP H 1.0 2.0 4.0 2 2 A 371 ASP H A 370 ALA HB% 1.0 2.5 4.5 3 3 A 370 ALA HA A 370 ALA H 1.0 1.8 3.8 4 4 A 370 ALA HB% A 370 ALA H 1.0 2.4 4.4 5 5 A 371 ASP HA A 372 ASP H 1.0 2.2 4.2 6 6 A 371 ASP H A 372 ASP H 1.0 2.3 4.3 7 7 A 371 ASP H A 371 ASP HA 1.0 1.8 3.8 8 8 A 371 ASP H A 371 ASP HBx 1.0 2.6 4.6 9 8 A 371 ASP H A 371 ASP HBy 1.0 2.6 4.6 10 9 A 372 ASP HA A 373 ASP H 1.0 2.1 4.1 11 10 A 373 ASP H A 372 ASP HBx 1.0 2.7 4.7 12 10 A 373 ASP H A 372 ASP HBy 1.0 2.7 4.7 13 11 A 372 ASP H A 372 ASP HA 1.0 1.8 3.8 14 12 A 373 ASP HA A 374 ASN H 1.0 2.0 4.0 15 13 A 374 ASN H A 373 ASP HB2 1.0 2.4 4.4 16 13 A 374 ASN H A 373 ASP HB3 1.0 2.4 4.4 17 14 A 373 ASP H A 373 ASP HA 1.0 1.8 3.8 18 15 A 374 ASN HA A 375 PHE H 1.0 2.2 4.2 19 16 A 375 PHE H A 374 ASN HBx 1.0 2.4 4.4 20 16 A 375 PHE H A 374 ASN HBy 1.0 2.4 4.4 21 17 A 374 ASN H A 374 ASN HA 1.0 1.8 3.8 22 18 A 375 PHE HA A 376 LEU H 1.0 2.2 4.2 23 19 A 375 PHE H A 376 LEU H 1.0 2.0 4.0 24 20 A 375 PHE H A 375 PHE HA 1.0 1.8 3.8 25 21 A 376 LEU HA A 377 VAL H 1.0 1.8 3.8 26 22 A 377 VAL H A 376 LEU HBx 1.0 2.5 4.5 27 22 A 377 VAL H A 376 LEU HBy 1.0 2.5 4.5 28 23 A 377 VAL H A 376 LEU HBx 1.0 2.5 4.5 29 23 A 377 VAL H A 376 LEU HBy 1.0 2.5 4.5 30 24 A 376 LEU H A 376 LEU HA 1.0 1.8 3.8 31 25 A 376 LEU H A 376 LEU HG 1.0 3.2 5.2 32 26 A 378 PRO HA A 379 ILE H 1.0 2.2 4.2 33 27 A 379 ILE H A 378 PRO HBx 1.0 2.5 4.5 34 27 A 379 ILE H A 378 PRO HBy 1.0 2.5 4.5 35 28 A 378 PRO HA A 381 VAL H 1.0 3.3 5.3 36 29 A 379 ILE HA A 380 ALA H 1.0 2.3 4.3 37 30 A 380 ALA H A 379 ILE HB 1.0 2.0 4.0 38 31 A 380 ALA H A 379 ILE HG21 1.0 2.6 4.6 39 32 A 379 ILE H A 379 ILE HA 1.0 1.8 3.8 40 33 A 379 ILE H A 379 ILE HG21 1.0 3.2 5.4 41 34 A 379 ILE H A 379 ILE HD11 1.0 3.0 5.0 42 35 A 381 VAL H A 380 ALA H 1.0 2.0 4.0 43 36 A 381 VAL H A 380 ALA HA 1.0 2.4 4.4 44 37 A 381 VAL H A 380 ALA HB% 1.0 3.3 5.3 45 38 A 380 ALA HA A 383 ALA H 1.0 2.8 4.8 46 39 A 380 ALA H A 380 ALA HA 1.0 1.8 3.8 47 40 A 381 VAL H A 382 GLY H 1.0 1.8 3.8 48 41 A 382 GLY H A 381 VAL HA 1.0 2.3 4.3 49 42 A 382 GLY H A 381 VAL HB 1.0 2.7 4.7 50 43 A 382 GLY H A 381 VAL HGy% 1.0 3.2 5.2 51 44 A 381 VAL HA A 384 ALA H 1.0 2.3 4.3 52 45 A 381 VAL H A 381 VAL HA 1.0 1.8 3.8 53 46 A 381 VAL H A 381 VAL HGy% 1.0 2.5 4.5 54 47 A 383 ALA H A 382 GLY H 1.0 1.8 3.8 55 48 A 385 LEU H A 382 GLY HAx 1.0 2.5 4.5 56 48 A 382 GLY HAy A 385 LEU H 1.0 2.5 4.5 57 49 A 382 GLY H A 382 GLY HAx 1.0 1.8 3.8 58 49 A 382 GLY H A 382 GLY HAy 1.0 1.8 3.8 59 50 A 383 ALA H A 384 ALA H 1.0 1.8 3.8 60 51 A 384 ALA H A 383 ALA HA 1.0 2.0 4.0 61 52 A 384 ALA H A 383 ALA HB% 1.0 2.5 4.5 62 53 A 383 ALA HA A 386 ALA H 1.0 2.5 4.5 63 54 A 383 ALA H A 383 ALA HA 1.0 1.8 3.8 64 55 A 384 ALA H A 385 LEU H 1.0 1.8 3.8 65 56 A 385 LEU H A 384 ALA HA 1.0 2.2 4.2 66 57 A 385 LEU H A 384 ALA HB% 1.0 2.4 4.4 67 58 A 384 ALA HA A 387 GLY H 1.0 2.5 4.5 68 59 A 384 ALA H A 384 ALA HA 1.0 1.8 3.8 69 60 A 385 LEU H A 386 ALA H 1.0 1.8 3.8 70 61 A 386 ALA H A 385 LEU HA 1.0 2.4 4.4 71 62 A 386 ALA H A 385 LEU HG 1.0 3.5 5.5 72 63 A 386 ALA H A 385 LEU HDx% 1.0 3.2 5.2 73 64 A 385 LEU HA A 388 VAL H 1.0 2.0 4.0 74 65 A 385 LEU H A 385 LEU HA 1.0 1.8 3.8 75 66 A 385 LEU H A 385 LEU HG 1.0 3.2 5.2 76 67 A 385 LEU H A 385 LEU HDx% 1.0 3.0 5.0 77 68 A 386 ALA H A 387 GLY H 1.0 1.8 3.8 78 69 A 387 GLY H A 386 ALA HA 1.0 2.4 4.4 79 70 A 387 GLY H A 386 ALA HB% 1.0 2.5 4.5 80 71 A 386 ALA HA A 389 LEU H 1.0 2.7 4.7 81 72 A 386 ALA H A 386 ALA HA 1.0 1.8 3.8 82 73 A 387 GLY H A 388 VAL H 1.0 1.8 3.8 83 74 A 388 VAL H A 387 GLY HAx 1.0 2.2 4.2 84 74 A 388 VAL H A 387 GLY HAy 1.0 2.2 4.2 85 75 A 387 GLY HAx A 390 ILE H 1.0 2.5 4.5 86 75 A 387 GLY HAy A 390 ILE H 1.0 2.5 4.5 87 76 A 387 GLY H A 387 GLY HAx 1.0 1.8 3.8 88 76 A 387 GLY H A 387 GLY HAy 1.0 1.8 3.8 89 77 A 388 VAL H A 389 LEU H 1.0 1.8 3.8 90 78 A 389 LEU H A 388 VAL HA 1.0 2.0 4.0 91 79 A 389 LEU H A 388 VAL HB 1.0 2.4 4.4 92 80 A 389 LEU H A 388 VAL HGx% 1.0 2.5 4.5 93 81 A 389 LEU H A 388 VAL HGy% 1.0 2.5 4.5 94 82 A 388 VAL HA A 391 LEU H 1.0 2.4 4.4 95 83 A 388 VAL H A 388 VAL HA 1.0 1.8 3.8 96 84 A 388 VAL H A 388 VAL HB 1.0 2.2 4.2 97 85 A 388 VAL H A 388 VAL HGx% 1.0 2.5 4.5 98 86 A 389 LEU H A 390 ILE H 1.0 1.8 3.8 99 87 A 390 ILE H A 389 LEU HA 1.0 2.4 4.4 100 88 A 390 ILE H A 389 LEU HBx 1.0 2.8 4.8 101 88 A 390 ILE H A 389 LEU HBy 1.0 2.8 4.8 102 89 A 390 ILE H A 389 LEU HG 1.0 3.2 5.2 103 90 A 390 ILE H A 389 LEU HDy% 1.0 3.2 5.2 104 91 A 389 LEU HA A 392 VAL H 1.0 2.4 4.4 105 92 A 389 LEU H A 389 LEU HA 1.0 1.8 3.8 106 93 A 389 LEU H A 389 LEU HG 1.0 3.2 5.2 107 94 A 389 LEU H A 389 LEU HDy% 1.0 3.0 5.0 108 95 A 390 ILE H A 391 LEU H 1.0 1.8 3.8 109 96 A 391 LEU H A 390 ILE HA 1.0 2.4 4.4 110 97 A 391 LEU H A 390 ILE HB 1.0 2.4 4.4 111 98 A 391 LEU H A 390 ILE HG1y 1.0 3.0 5.0 112 98 A 391 LEU H A 390 ILE HG1x 1.0 3.0 5.0 113 99 A 391 LEU H A 390 ILE HG21 1.0 3.0 5.0 114 100 A 391 LEU H A 390 ILE HD11 1.0 3.5 5.5 115 101 A 390 ILE HA A 393 LEU H 1.0 2.6 4.6 116 102 A 390 ILE H A 390 ILE HA 1.0 1.8 3.8 117 103 A 390 ILE H A 390 ILE HG21 1.0 2.8 4.8 118 104 A 390 ILE H A 390 ILE HD11 1.0 3.5 5.5 119 105 A 391 LEU H A 392 VAL H 1.0 1.7 3.7 120 106 A 392 VAL H A 391 LEU HA 1.0 2.0 4.0 121 107 A 392 VAL H A 391 LEU HBy 1.0 2.5 4.5 122 107 A 392 VAL H A 391 LEU HBx 1.0 2.5 4.5 123 108 A 392 VAL H A 391 LEU HDx% 1.0 3.3 5.3 124 109 A 392 VAL H A 391 LEU HG 1.0 3.2 5.2 125 110 A 391 LEU HA A 394 LEU H 1.0 2.5 4.5 126 111 A 391 LEU H A 391 LEU HA 1.0 1.8 3.8 127 112 A 391 LEU H A 391 LEU HDx% 1.0 3.0 5.0 128 113 A 391 LEU H A 391 LEU HDy% 1.0 3.0 5.0 129 114 A 392 VAL H A 393 LEU H 1.0 1.7 3.7 130 115 A 393 LEU H A 392 VAL HA 1.0 2.3 4.3 131 116 A 393 LEU H A 392 VAL HB 1.0 2.5 4.5 132 117 A 393 LEU H A 392 VAL HGx% 1.0 2.7 4.7 133 118 A 393 LEU H A 392 VAL HGy% 1.0 2.7 4.7 134 119 A 392 VAL HA A 395 ALA H 1.0 2.4 4.4 135 120 A 392 VAL H A 392 VAL HA 1.0 1.8 3.8 136 121 A 392 VAL H A 392 VAL HGx% 1.0 2.8 4.8 137 122 A 393 LEU H A 394 LEU H 1.0 1.8 3.8 138 123 A 394 LEU H A 393 LEU HA 1.0 2.0 4.0 139 124 A 394 LEU H A 393 LEU HBy 1.0 2.4 4.4 140 124 A 394 LEU H A 393 LEU HBx 1.0 2.4 4.4 141 125 A 394 LEU H A 393 LEU HBy 1.0 2.4 4.4 142 125 A 394 LEU H A 393 LEU HBx 1.0 2.4 4.4 143 126 A 394 LEU H A 393 LEU HDx% 1.0 3.2 5.2 144 127 A 394 LEU H A 393 LEU HG 1.0 3.2 5.2 145 128 A 393 LEU HA A 396 TYR H 1.0 2.6 4.6 146 129 A 393 LEU H A 393 LEU HA 1.0 1.8 3.8 147 130 A 393 LEU H A 393 LEU HG 1.0 3.0 5.0 148 131 A 393 LEU H A 393 LEU HDx% 1.0 3.0 5.0 149 132 A 394 LEU H A 395 ALA H 1.0 1.7 3.7 150 133 A 395 ALA H A 394 LEU HA 1.0 2.2 4.2 151 134 A 395 ALA H A 394 LEU HG 1.0 3.1 5.1 152 135 A 395 ALA H A 394 LEU HDx% 1.0 3.2 5.2 153 136 A 394 LEU HA A 397 PHE H 1.0 2.4 4.4 154 137 A 394 LEU H A 394 LEU HA 1.0 1.8 3.8 155 138 A 394 LEU H A 394 LEU HG 1.0 2.9 4.9 156 139 A 394 LEU H A 394 LEU HDx% 1.0 3.0 5.0 157 140 A 395 ALA H A 396 TYR H 1.0 1.7 3.7 158 141 A 396 TYR H A 395 ALA HA 1.0 2.4 4.4 159 142 A 395 ALA HA A 398 ILE H 1.0 2.7 4.7 160 143 A 395 ALA H A 395 ALA HA 1.0 1.8 3.8 161 144 A 396 TYR H A 397 PHE H 1.0 1.8 3.8 162 145 A 397 PHE H A 396 TYR HA 1.0 2.2 4.2 163 146 A 397 PHE H A 396 TYR HBy 1.0 2.5 4.5 164 146 A 397 PHE H A 396 TYR HBx 1.0 2.5 4.5 165 147 A 397 PHE H A 396 TYR HBy 1.0 2.5 4.5 166 147 A 397 PHE H A 396 TYR HBx 1.0 2.5 4.5 167 148 A 397 PHE H A 396 TYR HDy 1.0 3.0 5.0 168 148 A 397 PHE H A 396 TYR HDx 1.0 3.0 5.0 169 149 A 396 TYR HA A 399 GLY H 1.0 2.6 4.6 170 150 A 396 TYR H A 396 TYR HA 1.0 1.8 3.8 171 151 A 397 PHE H A 398 ILE H 1.0 1.8 3.8 172 152 A 398 ILE H A 397 PHE HA 1.0 2.2 4.2 173 153 A 398 ILE H A 397 PHE HBx 1.0 2.5 4.5 174 153 A 398 ILE H A 397 PHE HBy 1.0 2.5 4.5 175 154 A 398 ILE H A 397 PHE HDy 1.0 3.2 5.2 176 154 A 398 ILE H A 397 PHE HDx 1.0 3.2 5.2 177 155 A 397 PHE H A 397 PHE HA 1.0 1.8 3.8 178 156 A 397 PHE H A 397 PHE HDy 1.0 3.2 5.2 179 156 A 397 PHE H A 397 PHE HDx 1.0 3.2 5.2 180 157 A 397 PHE HA A 400 LEU H 1.0 2.8 4.8 181 158 A 398 ILE H A 399 GLY H 1.0 2.0 4.0 182 159 A 399 GLY H A 398 ILE HA 1.0 2.2 4.2 183 160 A 399 GLY H A 398 ILE HB 1.0 2.8 4.8 184 161 A 399 GLY H A 398 ILE HG21 1.0 3.2 5.2 185 162 A 398 ILE H A 398 ILE HA 1.0 1.8 3.8 186 163 A 398 ILE H A 398 ILE HG21 1.0 2.6 4.6 187 164 A 398 ILE H A 398 ILE HD11 1.0 3.0 5.0 188 165 A 399 GLY H A 400 LEU H 1.0 1.8 3.8 189 166 A 400 LEU H A 399 GLY HAx 1.0 2.3 4.3 190 166 A 400 LEU H A 399 GLY HAy 1.0 2.3 4.3 191 167 A 399 GLY H A 399 GLY HAx 1.0 1.8 3.8 192 167 A 399 GLY H A 399 GLY HAy 1.0 1.8 3.8 193 168 A 400 LEU HA A 401 LYS H 1.0 2.3 4.3 194 169 A 401 LYS H A 400 LEU HBy 1.0 2.6 4.6 195 169 A 401 LYS H A 400 LEU HBx 1.0 2.6 4.6 196 170 A 401 LYS H A 400 LEU HG 1.0 3.0 5.0 197 171 A 401 LYS H A 400 LEU HDx% 1.0 3.0 5.0 198 172 A 400 LEU H A 400 LEU HA 1.0 1.8 3.8 199 173 A 400 LEU H A 400 LEU HG 1.0 2.9 4.9 200 174 A 400 LEU H A 400 LEU HDx% 1.0 3.0 5.0 201 175 A 401 LYS HA A 402 HIS H 1.0 2.2 4.2 202 176 A 402 HIS H A 401 LYS HBx 1.0 2.6 4.6 203 176 A 402 HIS H A 401 LYS HBy 1.0 2.6 4.6 204 177 A 401 LYS H A 401 LYS HA 1.0 1.8 3.8 205 178 A 402 HIS HA A 403 HIS H 1.0 2.1 4.1 206 179 A 403 HIS H A 402 HIS HBx 1.0 2.5 4.5 207 179 A 403 HIS H A 402 HIS HBy 1.0 2.5 4.5 208 180 A 402 HIS H A 402 HIS HA 1.0 1.8 3.8 209 181 A 403 HIS HA A 404 HIS H 1.0 1.8 3.8 210 182 A 404 HIS H A 403 HIS HBx 1.0 2.5 4.5 211 182 A 404 HIS H A 403 HIS HBy 1.0 2.5 4.5 212 183 A 403 HIS H A 403 HIS HA 1.0 1.8 3.8 213 184 A 405 ALA HA A 406 GLY H 1.0 1.8 3.8 214 185 A 406 GLY H A 405 ALA HB% 1.0 2.3 4.3 215 186 A 405 ALA HA A 405 ALA H 1.0 1.8 3.8 216 187 A 406 GLY H A 405 ALA HB% 1.0 2.5 4.5 217 188 A 407 TYR H A 406 GLY HAy 1.0 1.8 3.8 218 188 A 406 GLY HAx A 407 TYR H 1.0 1.8 3.8 219 189 A 406 GLY H A 406 GLY HAy 1.0 1.8 3.8 220 189 A 406 GLY H A 406 GLY HAx 1.0 1.8 3.8 221 190 A 408 GLU H A 407 TYR HBy 1.0 2.5 4.5 222 190 A 407 TYR HBx A 408 GLU H 1.0 2.5 4.5 223 191 A 408 GLU H A 407 TYR HBy 1.0 2.5 4.5 224 191 A 407 TYR HBx A 408 GLU H 1.0 2.5 4.5 225 192 A 408 GLU H A 407 TYR HDy 1.0 3.0 5.0 226 192 A 408 GLU H A 407 TYR HDx 1.0 3.0 5.0 227 193 A 407 TYR H A 407 TYR HA 1.0 1.8 3.8 228 194 A 407 TYR H A 407 TYR HDy 1.0 3.0 5.0 229 194 A 407 TYR H A 407 TYR HDx 1.0 3.0 5.0 230 195 A 409 GLN H A 408 GLU HBx 1.0 2.5 4.5 231 195 A 408 GLU HBy A 409 GLN H 1.0 2.5 4.5 232 196 A 409 GLN H A 408 GLU HBx 1.0 2.5 4.5 233 196 A 408 GLU HBy A 409 GLN H 1.0 2.5 4.5 234 197 A 409 GLN H A 408 GLU HGx 1.0 3.0 5.0 235 197 A 409 GLN H A 408 GLU HGy 1.0 3.0 5.0 236 198 A 408 GLU H A 408 GLU HA 1.0 1.8 3.8 237 199 A 408 GLU H A 408 GLU HGx 1.0 3.4 5.4 238 199 A 408 GLU H A 408 GLU HGy 1.0 3.4 5.4 239 200 A 409 GLN HA A 410 PHE H 1.0 1.8 3.8 240 201 A 410 PHE H A 409 GLN HBy 1.0 2.2 4.2 241 201 A 410 PHE H A 409 GLN HBx 1.0 2.2 4.2 242 202 A 410 PHE H A 409 GLN HGx 1.0 3.0 5.0 243 202 A 410 PHE H A 409 GLN HGy 1.0 3.0 5.0 244 203 A 409 GLN H A 409 GLN HA 1.0 1.8 3.8 245 204 A 409 GLN H A 409 GLN HGx 1.0 2.8 4.8 246 204 A 409 GLN H A 409 GLN HGy 1.0 2.8 4.8 247 205 A 410 PHE H A 410 PHE HA 1.0 1.8 3.8 248 206 A 410 PHE H A 410 PHE HBx 1.0 2.2 4.2 249 206 A 410 PHE H A 410 PHE HBy 1.0 2.2 4.2 250 207 A 371 ASP HA A 371 ASP HBx 1.0 2.0 4.0 251 207 A 371 ASP HA A 371 ASP HBy 1.0 2.0 4.0 252 208 A 372 ASP HA A 372 ASP HBx 1.0 2.0 4.0 253 208 A 372 ASP HA A 372 ASP HBy 1.0 2.0 4.0 254 209 A 373 ASP HA A 373 ASP HB2 1.0 1.8 3.8 255 209 A 373 ASP HA A 373 ASP HB3 1.0 1.8 3.8 256 210 A 374 ASN HA A 374 ASN HBx 1.0 1.8 3.8 257 210 A 374 ASN HA A 374 ASN HBy 1.0 1.8 3.8 258 211 A 375 PHE HA A 375 PHE HBx 1.0 1.8 3.8 259 211 A 375 PHE HA A 375 PHE HBy 1.0 1.8 3.8 260 212 A 375 PHE HA A 375 PHE HDy 1.0 2.0 4.0 261 212 A 375 PHE HA A 375 PHE HDx 1.0 2.0 4.0 262 213 A 376 LEU HA A 376 LEU HBx 1.0 1.8 3.8 263 213 A 376 LEU HA A 376 LEU HBy 1.0 1.8 3.8 264 214 A 376 LEU HA A 376 LEU HG 1.0 2.2 4.2 265 215 A 378 PRO HA A 378 PRO HBx 1.0 1.8 3.8 266 215 A 378 PRO HA A 378 PRO HBy 1.0 1.8 3.8 267 216 A 378 PRO HBx A 378 PRO HGx 1.0 1.7 3.7 268 216 A 378 PRO HBy A 378 PRO HGy 1.0 1.7 3.7 269 216 A 378 PRO HBy A 378 PRO HGx 1.0 1.7 3.7 270 216 A 378 PRO HBx A 378 PRO HGy 1.0 1.7 3.7 271 217 A 379 ILE HA A 379 ILE HB 1.0 1.8 3.8 272 218 A 380 ALA HA A 380 ALA HB% 1.0 1.8 3.8 273 219 A 380 ALA HA A 383 ALA HB% 1.0 2.4 4.4 274 220 A 381 VAL HA A 381 VAL HB 1.0 1.8 3.8 275 221 A 381 VAL HA A 384 ALA HB% 1.0 1.8 3.8 276 222 A 381 VAL HGy% A 384 ALA HB% 1.0 2.5 4.5 277 223 A 382 GLY HAx A 385 LEU HG 1.0 3.0 5.0 278 223 A 382 GLY HAy A 385 LEU HG 1.0 3.0 5.0 279 224 A 382 GLY HAx A 385 LEU HDx% 1.0 3.2 5.2 280 224 A 382 GLY HAy A 385 LEU HDx% 1.0 3.2 5.2 281 225 A 382 GLY HAx A 385 LEU HBy 1.0 2.3 4.3 282 225 A 382 GLY HAx A 385 LEU HBx 1.0 2.3 4.3 283 225 A 382 GLY HAy A 385 LEU HBy 1.0 2.3 4.3 284 225 A 382 GLY HAy A 385 LEU HBx 1.0 2.3 4.3 285 226 A 383 ALA HA A 383 ALA HB% 1.0 1.8 3.8 286 227 A 383 ALA HA A 386 ALA HB% 1.0 2.5 4.5 287 228 A 384 ALA HA A 384 ALA HB% 1.0 1.8 3.8 288 229 A 385 LEU HA A 385 LEU HBy 1.0 2.0 4.0 289 229 A 385 LEU HA A 385 LEU HBx 1.0 2.0 4.0 290 230 A 385 LEU HA A 385 LEU HDx% 1.0 3.0 5.0 291 231 A 385 LEU HA A 385 LEU HDy% 1.0 2.0 4.0 292 232 A 385 LEU HA A 385 LEU HG 1.0 1.8 3.8 293 233 A 385 LEU HDx% A 385 LEU HBy 1.0 1.5 3.5 294 233 A 385 LEU HDx% A 385 LEU HBx 1.0 1.5 3.5 295 234 A 385 LEU HBy A 385 LEU HDy% 1.0 2.0 4.0 296 234 A 385 LEU HBx A 385 LEU HDy% 1.0 2.0 4.0 297 235 A 385 LEU HA A 388 VAL HB 1.0 2.0 4.0 298 236 A 385 LEU HA A 388 VAL HGx% 1.0 3.2 5.2 299 237 A 388 VAL HGx% A 385 LEU HDy% 1.0 3.0 5.0 300 238 A 386 ALA HA A 386 ALA HB% 1.0 1.8 3.8 301 239 A 386 ALA HA A 389 LEU HBx 1.0 2.7 4.7 302 239 A 386 ALA HA A 389 LEU HBy 1.0 2.7 4.7 303 240 A 386 ALA HA A 389 LEU HDx% 1.0 3.0 5.0 304 241 A 387 GLY HAx A 390 ILE HB 1.0 2.8 4.8 305 241 A 387 GLY HAy A 390 ILE HB 1.0 2.8 4.8 306 242 A 387 GLY HAx A 390 ILE HD11 1.0 3.0 5.0 307 242 A 387 GLY HAy A 390 ILE HD11 1.0 3.0 5.0 308 243 A 388 VAL HA A 391 LEU HBy 1.0 2.5 4.5 309 243 A 388 VAL HA A 391 LEU HBx 1.0 2.5 4.5 310 244 A 388 VAL HA A 391 LEU HG 1.0 2.8 4.8 311 245 A 388 VAL HGx% A 391 LEU HDy% 1.0 3.2 5.2 312 246 A 389 LEU HA A 389 LEU HBx 1.0 2.0 4.0 313 246 A 389 LEU HA A 389 LEU HBy 1.0 2.0 4.0 314 247 A 389 LEU HA A 389 LEU HDx% 1.0 2.8 4.8 315 248 A 389 LEU HA A 392 VAL HB 1.0 2.6 4.6 316 249 A 389 LEU HA A 392 VAL HGy% 1.0 2.6 4.6 317 250 A 390 ILE HA A 390 ILE HB 1.0 2.0 4.0 318 251 A 390 ILE HA A 390 ILE HG1y 1.0 2.5 4.5 319 251 A 390 ILE HA A 390 ILE HG1x 1.0 2.5 4.5 320 252 A 390 ILE HB A 390 ILE HD11 1.0 2.6 4.6 321 253 A 390 ILE HB A 390 ILE HG1y 1.0 1.3 3.3 322 253 A 390 ILE HB A 390 ILE HG1x 1.0 1.3 3.3 323 254 A 390 ILE HB A 391 LEU HG 1.0 3.2 5.2 324 255 A 390 ILE HA A 393 LEU HBy 1.0 2.6 4.6 325 255 A 390 ILE HA A 393 LEU HBx 1.0 2.6 4.6 326 256 A 390 ILE HA A 393 LEU HG 1.0 3.3 5.3 327 257 A 391 LEU HA A 391 LEU HBy 1.0 2.0 4.0 328 257 A 391 LEU HA A 391 LEU HBx 1.0 2.0 4.0 329 258 A 391 LEU HA A 391 LEU HDx% 1.0 3.0 5.0 330 259 A 391 LEU HBy A 391 LEU HDx% 1.0 1.5 3.5 331 259 A 391 LEU HBx A 391 LEU HDx% 1.0 1.5 3.5 332 260 A 391 LEU HBy A 391 LEU HG 1.0 2.0 4.0 333 260 A 391 LEU HBx A 391 LEU HG 1.0 2.0 4.0 334 261 A 391 LEU HA A 394 LEU HBy 1.0 3.2 5.4 335 261 A 391 LEU HA A 394 LEU HBx 1.0 3.2 5.4 336 262 A 391 LEU HA A 394 LEU HG 1.0 3.8 5.8 337 263 A 391 LEU HG A 394 LEU HDx% 1.0 3.5 5.5 338 264 A 392 VAL HA A 392 VAL HB 1.0 2.0 4.0 339 265 A 392 VAL HA A 392 VAL HGx% 1.0 1.4 3.4 340 266 A 392 VAL HA A 392 VAL HGy% 1.0 1.5 3.5 341 267 A 392 VAL HB A 392 VAL HGx% 1.0 1.9 3.9 342 268 A 392 VAL HB A 392 VAL HGy% 1.0 1.6 3.6 343 269 A 392 VAL HB A 393 LEU HG 1.0 2.8 4.8 344 270 A 392 VAL HA A 395 ALA HB% 1.0 1.6 3.6 345 271 A 393 LEU HA A 393 LEU HBy 1.0 2.0 4.0 346 271 A 393 LEU HA A 393 LEU HBx 1.0 2.0 4.0 347 272 A 393 LEU HA A 393 LEU HDx% 1.0 3.0 5.0 348 273 A 393 LEU HA A 393 LEU HDy% 1.0 1.9 3.9 349 274 A 393 LEU HBy A 393 LEU HG 1.0 1.7 3.7 350 274 A 393 LEU HBx A 393 LEU HG 1.0 1.7 3.7 351 275 A 393 LEU HA A 396 TYR HBy 1.0 2.3 4.3 352 275 A 393 LEU HA A 396 TYR HBx 1.0 2.3 4.3 353 276 A 393 LEU HA A 396 TYR HDy 1.0 3.5 5.5 354 277 A 394 LEU HA A 394 LEU HBy 1.0 2.0 4.0 355 277 A 394 LEU HA A 394 LEU HBx 1.0 2.0 4.0 356 278 A 394 LEU HA A 394 LEU HDx% 1.0 3.0 5.0 357 279 A 394 LEU HA A 394 LEU HDy% 1.0 3.6 5.6 358 280 A 394 LEU HA A 394 LEU HG 1.0 2.0 4.0 359 281 A 394 LEU HDx% A 394 LEU HBy 1.0 1.4 3.4 360 281 A 394 LEU HDx% A 394 LEU HBx 1.0 1.4 3.4 361 282 A 394 LEU HG A 394 LEU HBy 1.0 1.7 3.7 362 282 A 394 LEU HG A 394 LEU HBx 1.0 1.7 3.7 363 283 A 394 LEU HA A 397 PHE HBx 1.0 2.0 4.0 364 283 A 394 LEU HA A 397 PHE HBy 1.0 2.0 4.0 365 284 A 394 LEU HA A 397 PHE HDx 1.0 2.5 4.5 366 285 A 395 ALA HA A 398 ILE HB 1.0 2.2 4.2 367 286 A 395 ALA HA A 398 ILE HG1x 1.0 3.0 5.0 368 286 A 395 ALA HA A 398 ILE HG1y 1.0 3.0 5.0 369 287 A 396 TYR HA A 396 TYR HBy 1.0 1.8 3.8 370 287 A 396 TYR HA A 396 TYR HBx 1.0 1.8 3.8 371 288 A 396 TYR HA A 396 TYR HDy 1.0 1.8 3.8 372 288 A 396 TYR HA A 396 TYR HDx 1.0 1.8 3.8 373 289 A 396 TYR HDy A 396 TYR HEx 1.0 1.6 3.6 374 289 A 396 TYR HDy A 396 TYR HEy 1.0 1.6 3.6 375 289 A 396 TYR HDx A 396 TYR HEy 1.0 1.6 3.6 376 289 A 396 TYR HDx A 396 TYR HEx 1.0 1.6 3.6 377 290 A 396 TYR HA A 400 LEU HBy 1.0 3.2 5.2 378 290 A 396 TYR HA A 400 LEU HBx 1.0 3.2 5.2 379 291 A 397 PHE HA A 397 PHE HBx 1.0 2.0 4.0 380 291 A 397 PHE HA A 397 PHE HBy 1.0 2.0 4.0 381 292 A 394 LEU HA A 397 PHE HDy 1.0 2.2 4.2 382 292 A 394 LEU HA A 397 PHE HDx 1.0 2.2 4.2 383 293 A 397 PHE HA A 400 LEU HBy 1.0 2.0 4.0 384 293 A 397 PHE HA A 400 LEU HBx 1.0 2.0 4.0 385 294 A 398 ILE HA A 398 ILE HB 1.0 2.0 4.0 386 295 A 398 ILE HB A 398 ILE HG1x 1.0 2.0 4.0 387 295 A 398 ILE HB A 398 ILE HG1y 1.0 2.0 4.0 388 296 A 400 LEU HA A 400 LEU HBy 1.0 2.0 4.0 389 296 A 400 LEU HA A 400 LEU HBx 1.0 2.0 4.0 390 297 A 400 LEU HA A 400 LEU HG 1.0 2.5 4.5 391 298 A 400 LEU HA A 400 LEU HDy% 1.0 2.0 4.0 392 299 A 401 LYS HA A 401 LYS HBx 1.0 2.0 4.0 393 299 A 401 LYS HA A 401 LYS HBy 1.0 2.0 4.0 394 300 A 401 LYS HA A 401 LYS HDx 1.0 2.7 4.7 395 300 A 401 LYS HA A 401 LYS HDy 1.0 2.7 4.7 396 301 A 402 HIS HA A 402 HIS HBx 1.0 1.8 3.8 397 301 A 402 HIS HA A 402 HIS HBy 1.0 1.8 3.8 398 302 A 402 HIS HA A 402 HIS HD1 1.0 2.5 4.5 399 303 A 405 ALA HA A 405 ALA HB% 1.0 1.8 3.8 400 304 A 407 TYR HBy A 407 TYR HA 1.0 1.8 3.8 401 304 A 407 TYR HBx A 407 TYR HA 1.0 1.8 3.8 402 305 A 408 GLU HBx A 408 GLU HA 1.0 1.8 3.8 403 305 A 408 GLU HBy A 408 GLU HA 1.0 1.8 3.8 404 306 A 409 GLN HA A 409 GLN HBy 1.0 1.8 3.8 405 306 A 409 GLN HA A 409 GLN HBx 1.0 1.8 3.8 406 307 A 409 GLN HA A 409 GLN HGx 1.0 3.3 5.3 407 307 A 409 GLN HA A 409 GLN HGy 1.0 3.3 5.3 408 308 A 410 PHE HA A 410 PHE HBx 1.0 1.8 3.8 409 308 A 410 PHE HA A 410 PHE HBy 1.0 1.8 3.8 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 384 ALA H A 380 ALA O 1.0 1.7 2.3 2 2 A 380 ALA O A 384 ALA N 1.0 2.7 3.3 3 3 A 385 LEU H A 381 VAL O 1.0 1.7 2.3 4 4 A 381 VAL O A 385 LEU N 1.0 2.7 3.3 5 5 A 386 ALA H A 382 GLY O 1.0 1.7 2.3 6 6 A 382 GLY O A 386 ALA N 1.0 2.7 3.3 7 7 A 387 GLY H A 383 ALA O 1.0 1.7 2.3 8 8 A 383 ALA O A 387 GLY N 1.0 2.7 3.3 9 9 A 388 VAL H A 384 ALA O 1.0 1.7 2.3 10 10 A 384 ALA O A 388 VAL N 1.0 2.7 3.3 11 11 A 389 LEU H A 385 LEU O 1.0 1.7 2.3 12 12 A 385 LEU O A 389 LEU N 1.0 2.7 3.3 13 13 A 390 ILE H A 386 ALA O 1.0 1.7 2.3 14 14 A 386 ALA O A 390 ILE N 1.0 2.7 3.3 15 15 A 391 LEU H A 387 GLY O 1.0 1.7 2.3 16 16 A 387 GLY O A 391 LEU N 1.0 2.7 3.3 17 17 A 392 VAL H A 388 VAL O 1.0 1.7 2.3 18 18 A 388 VAL O A 392 VAL N 1.0 2.7 3.3 19 19 A 393 LEU H A 389 LEU O 1.0 1.7 2.3 20 20 A 389 LEU O A 393 LEU N 1.0 2.7 3.3 21 21 A 394 LEU H A 390 ILE O 1.0 1.7 2.3 22 22 A 390 ILE O A 394 LEU N 1.0 2.7 3.3 23 23 A 395 ALA H A 391 LEU O 1.0 1.7 2.3 24 24 A 391 LEU O A 395 ALA N 1.0 2.7 3.3 25 25 A 396 TYR H A 392 VAL O 1.0 1.7 2.3 26 26 A 392 VAL O A 396 TYR N 1.0 2.7 3.3 27 27 A 397 PHE H A 393 LEU O 1.0 1.7 2.3 28 28 A 393 LEU O A 397 PHE N 1.0 2.7 3.3 29 29 A 398 ILE H A 394 LEU O 1.0 1.7 2.3 30 30 A 394 LEU O A 398 ILE N 1.0 2.7 3.3 31 31 A 399 GLY H A 395 ALA O 1.0 1.7 2.3 32 32 A 395 ALA O A 399 GLY N 1.0 2.7 3.3 33 33 A 400 LEU H A 396 TYR O 1.0 1.7 2.3 34 34 A 396 TYR O A 400 LEU N 1.0 2.7 3.3 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 378 PRO C A 379 ILE N A 379 ILE CA A 379 ILE C 1.0 -100.41 -60.41 PHI 2 2 A 379 ILE C A 380 ALA N A 380 ALA CA A 380 ALA C 1.0 -93.26 -28.28 PHI 3 3 A 380 ALA C A 381 VAL N A 381 VAL CA A 381 VAL C 1.0 -70.00 -50.00 PHI 4 4 A 381 VAL C A 382 GLY N A 382 GLY CA A 382 GLY C 1.0 -80.35 -40.35 PHI 5 5 A 382 GLY C A 383 ALA N A 383 ALA CA A 383 ALA C 1.0 -72.00 -52.00 PHI 6 6 A 383 ALA C A 384 ALA N A 384 ALA CA A 384 ALA C 1.0 -71.00 -51.00 PHI 7 7 A 384 ALA C A 385 LEU N A 385 LEU CA A 385 LEU C 1.0 -72.00 -52.00 PHI 8 8 A 385 LEU C A 386 ALA N A 386 ALA CA A 386 ALA C 1.0 -72.00 -52.00 PHI 9 9 A 386 ALA C A 387 GLY N A 387 GLY CA A 387 GLY C 1.0 -86.06 -46.06 PHI 10 10 A 387 GLY C A 388 VAL N A 388 VAL CA A 388 VAL C 1.0 -70.00 -50.00 PHI 11 11 A 388 VAL C A 389 LEU N A 389 LEU CA A 389 LEU C 1.0 -71.00 -51.00 PHI 12 12 A 389 LEU C A 390 ILE N A 390 ILE CA A 390 ILE C 1.0 -71.00 -51.00 PHI 13 13 A 390 ILE C A 391 LEU N A 391 LEU CA A 391 LEU C 1.0 -73.00 -53.00 PHI 14 14 A 391 LEU C A 392 VAL N A 392 VAL CA A 392 VAL C 1.0 -74.00 -54.00 PHI 15 15 A 392 VAL C A 393 LEU N A 393 LEU CA A 393 LEU C 1.0 -71.00 -51.00 PHI 16 16 A 393 LEU C A 394 LEU N A 394 LEU CA A 394 LEU C 1.0 -70.00 -50.00 PHI 17 17 A 394 LEU C A 395 ALA N A 395 ALA CA A 395 ALA C 1.0 -74.00 -54.00 PHI 18 18 A 395 ALA C A 396 TYR N A 396 TYR CA A 396 TYR C 1.0 -73.00 -53.00 PHI 19 19 A 396 TYR C A 397 PHE N A 397 PHE CA A 397 PHE C 1.0 -72.00 -50.00 PHI 20 20 A 397 PHE C A 398 ILE N A 398 ILE CA A 398 ILE C 1.0 -81.00 -43.00 PHI 21 21 A 398 ILE C A 399 GLY N A 399 GLY CA A 399 GLY C 1.0 -81.77 -41.77 PHI 22 22 A 399 GLY C A 400 LEU N A 400 LEU CA A 400 LEU C 1.0 -80.69 -40.69 PHI 23 23 A 402 HIS C A 403 HIS N A 403 HIS CA A 403 HIS C 1.0 -127.58 -67.74 PHI 24 24 A 403 HIS C A 404 HIS N A 404 HIS CA A 404 HIS C 1.0 -126.04 -65.28 PHI 25 25 A 404 HIS C A 405 ALA N A 405 ALA CA A 405 ALA C 1.0 -117.34 -77.34 PHI 26 26 A 405 ALA C A 406 GLY N A 406 GLY CA A 406 GLY C 1.0 -129.97 -63.09 PHI 27 27 A 406 GLY C A 407 TYR N A 407 TYR CA A 407 TYR C 1.0 -143.74 -77.52 PHI 28 28 A 407 TYR C A 408 GLU N A 408 GLU CA A 408 GLU C 1.0 -134.93 -66.21 PHI 29 29 A 408 GLU C A 409 GLN N A 409 GLN CA A 409 GLN C 1.0 -130.32 -52.96 PHI 30 30 A 379 ILE N A 379 ILE CA A 379 ILE C A 380 ALA N 1.0 -75.88 -26.20 PSI 31 31 A 380 ALA N A 380 ALA CA A 380 ALA C A 381 VAL N 1.0 -60.61 -20.61 PSI 32 32 A 381 VAL N A 381 VAL CA A 381 VAL C A 382 GLY N 1.0 -48.00 -28.00 PSI 33 33 A 382 GLY N A 382 GLY CA A 382 GLY C A 383 ALA N 1.0 -58.54 -18.54 PSI 34 34 A 383 ALA N A 383 ALA CA A 383 ALA C A 384 ALA N 1.0 -51.00 -21.00 PSI 35 35 A 384 ALA N A 384 ALA CA A 384 ALA C A 385 LEU N 1.0 -49.00 -29.00 PSI 36 36 A 385 LEU N A 385 LEU CA A 385 LEU C A 386 ALA N 1.0 -51.00 -31.00 PSI 37 37 A 386 ALA N A 386 ALA CA A 386 ALA C A 387 GLY N 1.0 -54.00 -24.00 PSI 38 38 A 387 GLY N A 387 GLY CA A 387 GLY C A 388 VAL N 1.0 -60.17 -20.17 PSI 39 39 A 388 VAL N A 388 VAL CA A 388 VAL C A 389 LEU N 1.0 -53.00 -33.00 PSI 40 40 A 389 LEU N A 389 LEU CA A 389 LEU C A 390 ILE N 1.0 -52.00 -32.00 PSI 41 41 A 390 ILE N A 390 ILE CA A 390 ILE C A 391 LEU N 1.0 -51.00 -31.00 PSI 42 42 A 391 LEU N A 391 LEU CA A 391 LEU C A 392 VAL N 1.0 -49.00 -29.00 PSI 43 43 A 392 VAL N A 392 VAL CA A 392 VAL C A 393 LEU N 1.0 -53.00 -33.00 PSI 44 44 A 393 LEU N A 393 LEU CA A 393 LEU C A 394 LEU N 1.0 -53.00 -33.00 PSI 45 45 A 394 LEU N A 394 LEU CA A 394 LEU C A 395 ALA N 1.0 -52.00 -32.00 PSI 46 46 A 395 ALA N A 395 ALA CA A 395 ALA C A 396 TYR N 1.0 -50.00 -30.00 PSI 47 47 A 396 TYR N A 396 TYR CA A 396 TYR C A 397 PHE N 1.0 -54.00 -34.00 PSI 48 48 A 397 PHE N A 397 PHE CA A 397 PHE C A 398 ILE N 1.0 -49.00 -29.00 PSI 49 49 A 398 ILE N A 398 ILE CA A 398 ILE C A 399 GLY N 1.0 -51.00 -25.00 PSI 50 50 A 399 GLY N A 399 GLY CA A 399 GLY C A 400 LEU N 1.0 -59.28 -19.28 PSI 51 51 A 400 LEU N A 400 LEU CA A 400 LEU C A 401 LYS N 1.0 -60.43 -20.43 PSI 52 52 A 403 HIS N A 403 HIS CA A 403 HIS C A 404 HIS N 1.0 114.52 157.06 PSI 53 53 A 404 HIS N A 404 HIS CA A 404 HIS C A 405 ALA N 1.0 125.06 165.06 PSI 54 54 A 405 ALA N A 405 ALA CA A 405 ALA C A 406 GLY N 1.0 -51.15 -11.15 PSI 55 55 A 406 GLY N A 406 GLY CA A 406 GLY C A 407 TYR N 1.0 -40.81 0.55 PSI 56 56 A 407 TYR N A 407 TYR CA A 407 TYR C A 408 GLU N 1.0 88.85 154.25 PSI 57 57 A 408 GLU N A 408 GLU CA A 408 GLU C A 409 GLN N 1.0 104.88 149.30 PSI 58 58 A 409 GLN N A 409 GLN CA A 409 GLN C A 410 PHE N 1.0 106.65 146.65 PSI stop_ save_